anthracen-9-ylmethyl N-[20-[8,8-bis(3-phenylmethoxypropyl)dodec-4-ynyl]-28-butyl-8-oxo-32-phenylmethoxy-11,11-bis[21-phenylmethoxy-9,9-bis[12-phenylmethoxy-9,9-bis(3-phenylmethoxypropyl)dodec-4-ynyl]-18,18-bis(3-phenylmethoxypropyl)henicos-13-ynyl]-20-[11-phenylmethoxy-8-(2-phenylmethoxyethyl)-7-(3-phenylmethoxypropyl)undec-4-ynyl]-28-(3-phenylmethoxypropyl)dotriacont-24-ynyl]carbamate

C390H523NO28 — CID 157348252

IUPACanthracen-9-ylmethyl N-[20-[8,8-bis(3-phenylmethoxypropyl)dodec-4-ynyl]-28-butyl-8-oxo-32-phenylmethoxy-11,11-bis[21-phenylmethoxy-9,9-bis[12-phenylmethoxy-9,9-bis(3-phenylmethoxypropyl)dodec-4-ynyl]-18,18-bis(3-phenylmethoxypropyl)henicos-13-ynyl]-20-[11-phenylmethoxy-8-(2-phenylmethoxyethyl)-7-(3-phenylmethoxypropyl)undec-4-ynyl]-28-(3-phenylmethoxypropyl)dotriacont-24-ynyl]carbamate
SMILESCCCCC(CCC#CCCCC(CCCC#CCCC(CCCC)(CCCOCc1ccccc1)CCCOCc1ccccc1)(CCCC#CCC(CCCOCc1ccccc1)C(CCCOCc1ccccc1)CCOCc1ccccc1)CCCCCCCCC(CCCCCCCCC(CCCC#CCCCC(CCCOCc1ccccc1)(CCCOCc1ccccc1)CCCOCc1ccccc1)(CCCC#CCCCC(CCCOCc1ccccc1)(CCCOCc1ccccc1)CCCOCc1ccccc1)CCCC#CCCCC(CCCOCc1ccccc1)(CCCOCc1ccccc1)CCCOCc1ccccc1)(CCCCCCCCC(CCCC#CCCCC(CCCOCc1ccccc1)(CCCOCc1ccccc1)CCCOCc1ccccc1)(CCCC#CCCCC(CCCOCc1ccccc1)(CCCOCc1ccccc1)CCCOCc1ccccc1)CCCC#CCCCC(CCCOCc1ccccc1)(CCCOCc1ccccc1)CCCOCc1ccccc1)CCC(=O)CCCCCCCNC(=O)OCc1c2ccccc2cc2ccccc12)(CCCCOCc1ccccc1)CCCOCc1ccccc1
InChIInChI=1S/C390H523NO28/c1-3-5-244-379(270-163-296-397-322-348-190-85-57-86-191-348,269-158-160-293-394-319-345-184-79-54-80-185-345)246-150-48-26-50-152-257-383(258-153-51-27-49-151-247-380(245-6-4-2,271-164-297-398-323-349-192-87-58-88-193-349)272-165-298-399-324-350-194-89-59-90-195-350,259-157-52-29-129-234-370(237-161-294-395-320-346-186-81-55-82-187-346)371(243-317-418-343-369-232-127-78-128-233-369)238-162-295-396-321-347-188-83-56-84-189-347)256-143-38-21-24-47-156-268-390(291-242-374(392)239-130-28-25-53-159-292-391-378(393)419-344-377-375-240-133-131-235-372(375)318-373-236-132-134-241-376(373)377,266-154-45-22-19-36-141-254-381(248-135-30-7-13-39-144-260-384(273-166-299-400-325-351-196-91-60-92-197-351,274-167-300-401-326-352-198-93-61-94-199-352)275-168-301-402-327-353-200-95-62-96-201-353,249-136-31-8-14-40-145-261-385(276-169-302-403-328-354-202-97-63-98-203-354,277-170-303-404-329-355-204-99-64-100-205-355)278-171-304-405-330-356-206-101-65-102-207-356)250-137-32-9-15-41-146-262-386(279-172-305-406-331-357-208-103-66-104-209-357,280-173-306-407-332-358-210-105-67-106-211-358)281-174-307-408-333-359-212-107-68-108-213-359)267-155-46-23-20-37-142-255-382(251-138-33-10-16-42-147-263-387(282-175-308-409-334-360-214-109-69-110-215-360,283-176-309-410-335-361-216-111-70-112-217-361)284-177-310-411-336-362-218-113-71-114-219-362,252-139-34-11-17-43-148-264-388(285-178-311-412-337-363-220-115-72-116-221-363,286-179-312-413-338-364-222-117-73-118-223-364)287-180-313-414-339-365-224-119-74-120-225-365)253-140-35-12-18-44-149-265-389(288-181-314-415-340-366-226-121-75-122-227-366,289-182-315-416-341-367-228-123-76-124-229-367)290-183-316-417-342-368-230-125-77-126-231-368/h54-128,131-134,184-233,235-236,240-241,318,370-371H,3-6,19-25,28,30-47,50-53,130,135-183,234,237-239,242-317,319-344H2,1-2H3,(H,391,393)
InChIKeyBHFOMBINYCSYBQ-UHFFFAOYSA-N
MW5673.45 g/mol
LogP101.18
Rot. Bonds247

About anthracen-9-ylmethyl N-[20-[8,8-bis(3-phenylmethoxypropyl)dodec-4-ynyl]-28-butyl-8-oxo-32-phenylmethoxy-11,11-bis[21-phenylmethoxy-9,9-bis[12-phenylmethoxy-9,9-bis(3-phenylmethoxypropyl)dodec-4-ynyl]-18,18-bis(3-phenylmethoxypropyl)henicos-13-ynyl]-20-[11-phenylmethoxy-8-(2-phenylmethoxyethyl)-7-(3-phenylmethoxypropyl)undec-4-ynyl]-28-(3-phenylmethoxypropyl)dotriacont-24-ynyl]carbamate

anthracen-9-ylmethyl N-[20-[8,8-bis(3-phenylmethoxypropyl)dodec-4-ynyl]-28-butyl-8-oxo-32-phenylmethoxy-11,11-bis[21-phenylmethoxy-9,9-bis[12-phenylmethoxy-9,9-bis(3-phenylmethoxypropyl)dodec-4-ynyl]-18,18-bis(3-phenylmethoxypropyl)henicos-13-ynyl]-20-[11-phenylmethoxy-8-(2-phenylmethoxyethyl)-7-(3-phenylmethoxypropyl)undec-4-ynyl]-28-(3-phenylmethoxypropyl)dotriacont-24-ynyl]carbamate (PubChem CID 157348252) has the molecular formula C390H523NO28 and a molecular weight of 5673.45 g/mol. Its IUPAC name is anthracen-9-ylmethyl N-[20-[8,8-bis(3-phenylmethoxypropyl)dodec-4-ynyl]-28-butyl-8-oxo-32-phenylmethoxy-11,11-bis[21-phenylmethoxy-9,9-bis[12-phenylmethoxy-9,9-bis(3-phenylmethoxypropyl)dodec-4-ynyl]-18,18-bis(3-phenylmethoxypropyl)henicos-13-ynyl]-20-[11-phenylmethoxy-8-(2-phenylmethoxyethyl)-7-(3-phenylmethoxypropyl)undec-4-ynyl]-28-(3-phenylmethoxypropyl)dotriacont-24-ynyl]carbamate.

Molecular Properties

Compound Nameanthracen-9-ylmethyl N-[20-[8,8-bis(3-phenylmethoxypropyl)dodec-4-ynyl]-28-butyl-8-oxo-32-phenylmethoxy-11,11-bis[21-phenylmethoxy-9,9-bis[12-phenylmethoxy-9,9-bis(3-phenylmethoxypropyl)dodec-4-ynyl]-18,18-bis(3-phenylmethoxypropyl)henicos-13-ynyl]-20-[11-phenylmethoxy-8-(2-phenylmethoxyethyl)-7-(3-phenylmethoxypropyl)undec-4-ynyl]-28-(3-phenylmethoxypropyl)dotriacont-24-ynyl]carbamate
PubChem CID157348252
Molecular FormulaC390H523NO28
Molecular Weight5673.45 g/mol
Exact Mass5668.95
IUPAC Nameanthracen-9-ylmethyl N-[20-[8,8-bis(3-phenylmethoxypropyl)dodec-4-ynyl]-28-butyl-8-oxo-32-phenylmethoxy-11,11-bis[21-phenylmethoxy-9,9-bis[12-phenylmethoxy-9,9-bis(3-phenylmethoxypropyl)dodec-4-ynyl]-18,18-bis(3-phenylmethoxypropyl)henicos-13-ynyl]-20-[11-phenylmethoxy-8-(2-phenylmethoxyethyl)-7-(3-phenylmethoxypropyl)undec-4-ynyl]-28-(3-phenylmethoxypropyl)dotriacont-24-ynyl]carbamate
SMILESCCCCC(CCC#CCCCC(CCCC#CCCC(CCCC)(CCCOCc1ccccc1)CCCOCc1ccccc1)(CCCC#CCC(CCCOCc1ccccc1)C(CCCOCc1ccccc1)CCOCc1ccccc1)CCCCCCCCC(CCCCCCCCC(CCCC#CCCCC(CCCOCc1ccccc1)(CCCOCc1ccccc1)CCCOCc1ccccc1)(CCCC#CCCCC(CCCOCc1ccccc1)(CCCOCc1ccccc1)CCCOCc1ccccc1)CCCC#CCCCC(CCCOCc1ccccc1)(CCCOCc1ccccc1)CCCOCc1ccccc1)(CCCCCCCCC(CCCC#CCCCC(CCCOCc1ccccc1)(CCCOCc1ccccc1)CCCOCc1ccccc1)(CCCC#CCCCC(CCCOCc1ccccc1)(CCCOCc1ccccc1)CCCOCc1ccccc1)CCCC#CCCCC(CCCOCc1ccccc1)(CCCOCc1ccccc1)CCCOCc1ccccc1)CCC(=O)CCCCCCCNC(=O)OCc1c2ccccc2cc2ccccc12)(CCCCOCc1ccccc1)CCCOCc1ccccc1
InChIInChI=1S/C390H523NO28/c1-3-5-244-379(270-163-296-397-322-348-190-85-57-86-191-348,269-158-160-293-394-319-345-184-79-54-80-185-345)246-150-48-26-50-152-257-383(258-153-51-27-49-151-247-380(245-6-4-2,271-164-297-398-323-349-192-87-58-88-193-349)272-165-298-399-324-350-194-89-59-90-195-350,259-157-52-29-129-234-370(237-161-294-395-320-346-186-81-55-82-187-346)371(243-317-418-343-369-232-127-78-128-233-369)238-162-295-396-321-347-188-83-56-84-189-347)256-143-38-21-24-47-156-268-390(291-242-374(392)239-130-28-25-53-159-292-391-378(393)419-344-377-375-240-133-131-235-372(375)318-373-236-132-134-241-376(373)377,266-154-45-22-19-36-141-254-381(248-135-30-7-13-39-144-260-384(273-166-299-400-325-351-196-91-60-92-197-351,274-167-300-401-326-352-198-93-61-94-199-352)275-168-301-402-327-353-200-95-62-96-201-353,249-136-31-8-14-40-145-261-385(276-169-302-403-328-354-202-97-63-98-203-354,277-170-303-404-329-355-204-99-64-100-205-355)278-171-304-405-330-356-206-101-65-102-207-356)250-137-32-9-15-41-146-262-386(279-172-305-406-331-357-208-103-66-104-209-357,280-173-306-407-332-358-210-105-67-106-211-358)281-174-307-408-333-359-212-107-68-108-213-359)267-155-46-23-20-37-142-255-382(251-138-33-10-16-42-147-263-387(282-175-308-409-334-360-214-109-69-110-215-360,283-176-309-410-335-361-216-111-70-112-217-361)284-177-310-411-336-362-218-113-71-114-219-362,252-139-34-11-17-43-148-264-388(285-178-311-412-337-363-220-115-72-116-221-363,286-179-312-413-338-364-222-117-73-118-223-364)287-180-313-414-339-365-224-119-74-120-225-365)253-140-35-12-18-44-149-265-389(288-181-314-415-340-366-226-121-75-122-227-366,289-182-315-416-341-367-228-123-76-124-229-367)290-183-316-417-342-368-230-125-77-126-231-368/h54-128,131-134,184-233,235-236,240-241,318,370-371H,3-6,19-25,28,30-47,50-53,130,135-183,234,237-239,242-317,319-344H2,1-2H3,(H,391,393)
InChIKeyBHFOMBINYCSYBQ-UHFFFAOYSA-N
XLogP101.18
TPSA286.15 Ų
H-Bond Donors1
H-Bond Acceptors28
Rotatable Bonds247
Heavy Atoms419
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5005673.45
LogP ≤ 5101.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1028

Analyze anthracen-9-ylmethyl N-[20-[8,8-bis(3-phenylmethoxypropyl)dodec-4-ynyl]-28-butyl-8-oxo-32-phenylmethoxy-11,11-bis[21-phenylmethoxy-9,9-bis[12-phenylmethoxy-9,9-bis(3-phenylmethoxypropyl)dodec-4-ynyl]-18,18-bis(3-phenylmethoxypropyl)henicos-13-ynyl]-20-[11-phenylmethoxy-8-(2-phenylmethoxyethyl)-7-(3-phenylmethoxypropyl)undec-4-ynyl]-28-(3-phenylmethoxypropyl)dotriacont-24-ynyl]carbamate with MolForge

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Frequently Asked Questions

What is the IUPAC name of anthracen-9-ylmethyl N-[20-[8,8-bis(3-phenylmethoxypropyl)dodec-4-ynyl]-28-butyl-8-oxo-32-phenylmethoxy-11,11-bis[21-phenylmethoxy-9,9-bis[12-phenylmethoxy-9,9-bis(3-phenylmethoxypropyl)dodec-4-ynyl]-18,18-bis(3-phenylmethoxypropyl)henicos-13-ynyl]-20-[11-phenylmethoxy-8-(2-phenylmethoxyethyl)-7-(3-phenylmethoxypropyl)undec-4-ynyl]-28-(3-phenylmethoxypropyl)dotriacont-24-ynyl]carbamate?
The IUPAC name of anthracen-9-ylmethyl N-[20-[8,8-bis(3-phenylmethoxypropyl)dodec-4-ynyl]-28-butyl-8-oxo-32-phenylmethoxy-11,11-bis[21-phenylmethoxy-9,9-bis[12-phenylmethoxy-9,9-bis(3-phenylmethoxypropyl)dodec-4-ynyl]-18,18-bis(3-phenylmethoxypropyl)henicos-13-ynyl]-20-[11-phenylmethoxy-8-(2-phenylmethoxyethyl)-7-(3-phenylmethoxypropyl)undec-4-ynyl]-28-(3-phenylmethoxypropyl)dotriacont-24-ynyl]carbamate (CID 157348252) is anthracen-9-ylmethyl N-[20-[8,8-bis(3-phenylmethoxypropyl)dodec-4-ynyl]-28-butyl-8-oxo-32-phenylmethoxy-11,11-bis[21-phenylmethoxy-9,9-bis[12-phenylmethoxy-9,9-bis(3-phenylmethoxypropyl)dodec-4-ynyl]-18,18-bis(3-phenylmethoxypropyl)henicos-13-ynyl]-20-[11-phenylmethoxy-8-(2-phenylmethoxyethyl)-7-(3-phenylmethoxypropyl)undec-4-ynyl]-28-(3-phenylmethoxypropyl)dotriacont-24-ynyl]carbamate.
What is the SMILES notation for anthracen-9-ylmethyl N-[20-[8,8-bis(3-phenylmethoxypropyl)dodec-4-ynyl]-28-butyl-8-oxo-32-phenylmethoxy-11,11-bis[21-phenylmethoxy-9,9-bis[12-phenylmethoxy-9,9-bis(3-phenylmethoxypropyl)dodec-4-ynyl]-18,18-bis(3-phenylmethoxypropyl)henicos-13-ynyl]-20-[11-phenylmethoxy-8-(2-phenylmethoxyethyl)-7-(3-phenylmethoxypropyl)undec-4-ynyl]-28-(3-phenylmethoxypropyl)dotriacont-24-ynyl]carbamate?
The canonical SMILES for anthracen-9-ylmethyl N-[20-[8,8-bis(3-phenylmethoxypropyl)dodec-4-ynyl]-28-butyl-8-oxo-32-phenylmethoxy-11,11-bis[21-phenylmethoxy-9,9-bis[12-phenylmethoxy-9,9-bis(3-phenylmethoxypropyl)dodec-4-ynyl]-18,18-bis(3-phenylmethoxypropyl)henicos-13-ynyl]-20-[11-phenylmethoxy-8-(2-phenylmethoxyethyl)-7-(3-phenylmethoxypropyl)undec-4-ynyl]-28-(3-phenylmethoxypropyl)dotriacont-24-ynyl]carbamate is CCCCC(CCC#CCCCC(CCCC#CCCC(CCCC)(CCCOCc1ccccc1)CCCOCc1ccccc1)(CCCC#CCC(CCCOCc1ccccc1)C(CCCOCc1ccccc1)CCOCc1ccccc1)CCCCCCCCC(CCCCCCCCC(CCCC#CCCCC(CCCOCc1ccccc1)(CCCOCc1ccccc1)CCCOCc1ccccc1)(CCCC#CCCCC(CCCOCc1ccccc1)(CCCOCc1ccccc1)CCCOCc1ccccc1)CCCC#CCCCC(CCCOCc1ccccc1)(CCCOCc1ccccc1)CCCOCc1ccccc1)(CCCCCCCCC(CCCC#CCCCC(CCCOCc1ccccc1)(CCCOCc1ccccc1)CCCOCc1ccccc1)(CCCC#CCCCC(CCCOCc1ccccc1)(CCCOCc1ccccc1)CCCOCc1ccccc1)CCCC#CCCCC(CCCOCc1ccccc1)(CCCOCc1ccccc1)CCCOCc1ccccc1)CCC(=O)CCCCCCCNC(=O)OCc1c2ccccc2cc2ccccc12)(CCCCOCc1ccccc1)CCCOCc1ccccc1.
What is the InChIKey of anthracen-9-ylmethyl N-[20-[8,8-bis(3-phenylmethoxypropyl)dodec-4-ynyl]-28-butyl-8-oxo-32-phenylmethoxy-11,11-bis[21-phenylmethoxy-9,9-bis[12-phenylmethoxy-9,9-bis(3-phenylmethoxypropyl)dodec-4-ynyl]-18,18-bis(3-phenylmethoxypropyl)henicos-13-ynyl]-20-[11-phenylmethoxy-8-(2-phenylmethoxyethyl)-7-(3-phenylmethoxypropyl)undec-4-ynyl]-28-(3-phenylmethoxypropyl)dotriacont-24-ynyl]carbamate?
The InChIKey is BHFOMBINYCSYBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C390H523NO28/c1-3-5-244-379(270-163-296-397-322-348-190-85-57-86-191-348,269-158-160-293-394-319-345-184-79-54-80-185-345)246-150-48-26-50-152-257-383(258-153-51-27-49-151-247-380(245-6-4-2,271-164-297-398-323-349-192-87-58-88-193-349)272-165-298-399-324-350-194-89-59-90-195-350,259-157-52-29-129-234-370(237-161-294-395-320-346-186-81-55-82-187-346)371(243-317-418-343-369-232-127-78-128-233-369)238-162-295-396-321-347-188-83-56-84-189-347)256-143-38-21-24-47-156-268-390(291-242-374(392)239-130-28-25-53-159-292-391-378(393)419-344-377-375-240-133-131-235-372(375)318-373-236-132-134-241-376(373)377,266-154-45-22-19-36-141-254-381(248-135-30-7-13-39-144-260-384(273-166-299-400-325-351-196-91-60-92-197-351,274-167-300-401-326-352-198-93-61-94-199-352)275-168-301-402-327-353-200-95-62-96-201-353,249-136-31-8-14-40-145-261-385(276-169-302-403-328-354-202-97-63-98-203-354,277-170-303-404-329-355-204-99-64-100-205-355)278-171-304-405-330-356-206-101-65-102-207-356)250-137-32-9-15-41-146-262-386(279-172-305-406-331-357-208-103-66-104-209-357,280-173-306-407-332-358-210-105-67-106-211-358)281-174-307-408-333-359-212-107-68-108-213-359)267-155-46-23-20-37-142-255-382(251-138-33-10-16-42-147-263-387(282-175-308-409-334-360-214-109-69-110-215-360,283-176-309-410-335-361-216-111-70-112-217-361)284-177-310-411-336-362-218-113-71-114-219-362,252-139-34-11-17-43-148-264-388(285-178-311-412-337-363-220-115-72-116-221-363,286-179-312-413-338-364-222-117-73-118-223-364)287-180-313-414-339-365-224-119-74-120-225-365)253-140-35-12-18-44-149-265-389(288-181-314-415-340-366-226-121-75-122-227-366,289-182-315-416-341-367-228-123-76-124-229-367)290-183-316-417-342-368-230-125-77-126-231-368/h54-128,131-134,184-233,235-236,240-241,318,370-371H,3-6,19-25,28,30-47,50-53,130,135-183,234,237-239,242-317,319-344H2,1-2H3,(H,391,393).
What are the key properties of anthracen-9-ylmethyl N-[20-[8,8-bis(3-phenylmethoxypropyl)dodec-4-ynyl]-28-butyl-8-oxo-32-phenylmethoxy-11,11-bis[21-phenylmethoxy-9,9-bis[12-phenylmethoxy-9,9-bis(3-phenylmethoxypropyl)dodec-4-ynyl]-18,18-bis(3-phenylmethoxypropyl)henicos-13-ynyl]-20-[11-phenylmethoxy-8-(2-phenylmethoxyethyl)-7-(3-phenylmethoxypropyl)undec-4-ynyl]-28-(3-phenylmethoxypropyl)dotriacont-24-ynyl]carbamate?
anthracen-9-ylmethyl N-[20-[8,8-bis(3-phenylmethoxypropyl)dodec-4-ynyl]-28-butyl-8-oxo-32-phenylmethoxy-11,11-bis[21-phenylmethoxy-9,9-bis[12-phenylmethoxy-9,9-bis(3-phenylmethoxypropyl)dodec-4-ynyl]-18,18-bis(3-phenylmethoxypropyl)henicos-13-ynyl]-20-[11-phenylmethoxy-8-(2-phenylmethoxyethyl)-7-(3-phenylmethoxypropyl)undec-4-ynyl]-28-(3-phenylmethoxypropyl)dotriacont-24-ynyl]carbamate has a molecular weight of 5673.45 g/mol, XLogP of 101.18, 247 rotatable bonds, 1 hydrogen bond donors, and 28 hydrogen bond acceptors.
Where does this data come from?
All data for anthracen-9-ylmethyl N-[20-[8,8-bis(3-phenylmethoxypropyl)dodec-4-ynyl]-28-butyl-8-oxo-32-phenylmethoxy-11,11-bis[21-phenylmethoxy-9,9-bis[12-phenylmethoxy-9,9-bis(3-phenylmethoxypropyl)dodec-4-ynyl]-18,18-bis(3-phenylmethoxypropyl)henicos-13-ynyl]-20-[11-phenylmethoxy-8-(2-phenylmethoxyethyl)-7-(3-phenylmethoxypropyl)undec-4-ynyl]-28-(3-phenylmethoxypropyl)dotriacont-24-ynyl]carbamate is sourced from PubChem (CID 157348252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).